SCHEMBL3670334

SCHEMBL3670334

O=C(O)Cc1cccc(-c2cncc(Br)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NAPRT Q6XQN6 1/20 0.45
PTGS2 P35354 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ENPP2 Q13822 1/20 0.44
PTPN11 Q06124 1/20 0.43
PPARD Q03181 1/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3667115 0.83 CYP11B1 (0.54) CASP3CYP11B1CYP11B2SMN1; SMN2KDM4E
SCHEMBL13778475 0.82 CYP11B1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3670438 0.81 PRKCI (0.57) CYP11B1CYP11B2
SCHEMBL3941960 0.80 NAPRT (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23582420 0.80 SLC22A12 (0.42) CASP3CYP11B1CYP11B2SMN1; SMN2HTT
SCHEMBL28032595 0.79 LMNA (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3669814 0.78 CDK8 (0.48) CYP11B1CYP11B2ENPP2
SCHEMBL27828869 0.78 ALDH1A1 (0.46) CYP11B2SMN1; SMN2HTT
SCHEMBL2341018 0.78 PPARD (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27656311 0.78 CYP2A6 (0.41) CASP3GRIN1GRIN2BCYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CASP3 2249/4885GRIN2D 3300/4885GRIN3B 2930/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.